Structure Information
Structure

Compound Identification

SMILES

CC(CCC(=O)NC(CO)CS([O-])(=O)=O)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

InChIKey

InChIKey=VKPVSJHIDCDERJ-UHFFFAOYSA-M

Formula

C27H46NO9S

Mass

560.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Taurinated bile acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Taurinated bile acid - Tetrahydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Diterpenoid - 16-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - Fatty acyl - N-acyl-amine - Fatty amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic anion - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.

External Descriptors

Not available

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